ethane;2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide

C14H27N7O — CID 156812725

IUPACethane;2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCC.Cc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H21N7O.C2H6/c1-9-14-11(18(3)8-10(13)20)16-12(15-9)19-6-4-17(2)5-7-19;1-2/h4-8H2,1-3H3,(H2,13,20);1-2H3
InChIKeyFZVHSRWBPOWXIN-UHFFFAOYSA-N
MW309.42 g/mol
LogP-0.12
Rot. Bonds4

About ethane;2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide

ethane;2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide (PubChem CID 156812725) has the molecular formula C14H27N7O and a molecular weight of 309.42 g/mol. Its IUPAC name is ethane;2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide.

Molecular Properties

Compound Nameethane;2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
PubChem CID156812725
Molecular FormulaC14H27N7O
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC Nameethane;2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCC.Cc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H21N7O.C2H6/c1-9-14-11(18(3)8-10(13)20)16-12(15-9)19-6-4-17(2)5-7-19;1-2/h4-8H2,1-3H3,(H2,13,20);1-2H3
InChIKeyFZVHSRWBPOWXIN-UHFFFAOYSA-N
XLogP-0.12
TPSA91.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazine-2-carboxamide
CID 942832
4-Methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 63868018
4,6-Bis(ethylamino)-1,3,5-triazine-2-carboxamide
CID 597626
4,6-Bis(dimethylamino)-1,3,5-triazine-2-carboxamide
CID 910049
2-Amino-4-carbamoyl-6-piperidino-1,3,5-triazine
CID 601007
1-[4-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]ethanone
CID 34680379
N-ethyl-4-(ethylamino)-6-methyl-1,3,5-triazine-2-carboxamide
CID 76316489
2-[[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-ethylamino]acetamide
CID 132381777
4-(Diethylamino)-6-methoxy-1,3,5-triazine-2-carboxamide
CID 4355148
4-(4-Amino-6-methyl-s-triazin-2-yl)-2-piperazinone
CID 16206908
4-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-2-one
CID 17557132
[1,3,5]Triazine-2-carboxylic acid, 4-ethylamino-6-piperidin-1-yl-, amide
CID 672103

Frequently Asked Questions

What is the IUPAC name of ethane;2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The IUPAC name of ethane;2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide (CID 156812725) is ethane;2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide.
What is the SMILES notation for ethane;2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The canonical SMILES for ethane;2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide is CC.Cc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1.
What is the InChIKey of ethane;2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The InChIKey is FZVHSRWBPOWXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O.C2H6/c1-9-14-11(18(3)8-10(13)20)16-12(15-9)19-6-4-17(2)5-7-19;1-2/h4-8H2,1-3H3,(H2,13,20);1-2H3.
What are the key properties of ethane;2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
ethane;2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide has a molecular weight of 309.42 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide is sourced from PubChem (CID 156812725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).